Synonyms: | |
Status: | Approved (1991) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C10AA03 |
UNII: | KXO2KT9N0G |
InChI Key | TUZYXOIXSAXUGO-PZAWKZKUSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C23H36O7 |
Molecular Weight | 424.53 |
AlogP | 2.44 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 10.0 |
Polar Surface Area | 124.29 |
Molecular species | ACID |
Aromatic Rings | 0.0 |
Heavy Atoms | 30.0 |
Primary Target | |
---|---|
hydroxymethylglutaryl-CoA reductase |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 13-32 | - | - | 86-90 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 3600 | - | 3400 | 37 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | 52000 | 5 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
Hypertension | 3 | D006973 | ClinicalTrials |
Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
Hyperlipidemias | 3 | D006949 | ClinicalTrials |
Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
Multiple Sclerosis, Relapsing-Remitting | 3 | D020529 | ClinicalTrials |
Myocardial Ischemia | 3 | D017202 | ClinicalTrials |
Polycystic Kidney, Autosomal Dominant | 3 | D016891 | ClinicalTrials |
Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
Lipid Metabolism Disorders | 3 | D052439 | ClinicalTrials |
Hyperlipoproteinemia Type III | 3 | D006952 | ClinicalTrials |
Hyperlipidemia, Familial Combined | 3 | D006950 | ClinicalTrials |
Diabetes Mellitus | 3 | D003920 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Heart Failure | 3 | D006333 | ClinicalTrials |
Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
Carcinoma | 2 | D002277 | ClinicalTrials |
Progeria | 2 | D011371 | ClinicalTrials |
Mucocutaneous Lymph Node Syndrome | 2 | D009080 | ClinicalTrials |
Fibrosis | 2 | D005355 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Tuberculosis, Pulmonary | 2 | D014397 | ClinicalTrials |
Tuberculosis | 2 | D014376 | ClinicalTrials |
Lupus Erythematosus, Systemic | 2 | D008180 | ClinicalTrials |
Progeria | 2 | D011371 | ClinicalTrials |
Lymphoma | 2 | D008223 | ClinicalTrials |
Acute Kidney Injury | 1 | D058186 | ClinicalTrials |
Leukemia | 1 | D007938 | ClinicalTrials |
Arthritis, Rheumatoid | 1 | D001172 | ClinicalTrials |
HIV Infections | 1 | D015658 | ClinicalTrials |
Pneumonia | 0 | D011014 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 81093-37-0 |
ChEBI | 63618 |
ChEMBL | CHEMBL1144 |
DrugBank | DB00175 |
DrugCentral | 2239 |
EPA CompTox | DTXSID6023498 |
FDA SRS | KXO2KT9N0G |
Human Metabolome Database | HMDB0005022 |
Guide to Pharmacology | 2953 |
KEGG | C01844 |
PharmGKB | PA451089 |
PubChem | 54687 |
SureChEMBL | SCHEMBL1117 |
ZINC | ZINC000003798763 |